Details of the Drug

General Information of Drug (ID: DMRPE3D)

Drug Name
GR-65630
Synonyms GR-65630A
Indication
Disease Entry ICD 11 Status REF
Vomiting MD90 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 267.33
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H17N3O
IUPAC Name
3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one
Canonical SMILES
CC1=C(N=CN1)CCC(=O)C2=CC3=CC=CC=C3N2C
InChI
InChI=1S/C16H17N3O/c1-11-13(18-10-17-11)7-8-16(20)15-9-12-5-3-4-6-14(12)19(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKey
AQCBJPZFJDPIGL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
124006
CAS Number
117186-80-8
TTD ID
D0M7VW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003534)
2 Binding of the 5-HT3 ligand, [3H]GR65630, to rat area postrema, vagus nerve and the brains of several species. Eur J Pharmacol. 1989 Jan 10;159(2):157-64.